(3-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-nitro-phenyl]piperazino]methanone Formula: C26H25BrN4O3 MolecularWeight: 521.4057

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=CC(=C3)N4CCN(CC4)C(=O)C5=CC(=CC=C5)Br)[N+](=O)[O-]

InChI

InChI=1S/C26H25BrN4O3/c27-22-7-3-6-20(16-22)26(32)29-14-12-28(13-15-29)23-8-9-24(31(33)34)25(17-23)30-11-10-19-4-1-2-5-21(19)18-30/h1-9,16-17H,10-15,18H2